Second offering of Molecular Modeling and Drug Design Workshop



 Due to the overwhelming response to the announcement of
 our Molecular Modeling and Drug Design workshop on Jan. 24 - 26,
 we are offering another class on Jan. 31 - Feb. 2.
           Introduction to Molecular Modeling and Drug Design
                        January 31- February 2,  1995
 		North Carolina Supercomputing Center
                Research Triangle Park, North Carolina
 The North Carolina Supercomputing Center (NCSC) is pleased to offer
 "Introduction to Molecular Modeling and Drug Design." World-renowned
 experts from pharmaceutical companies and academia will lecture on
 the state-of-the-art techniques in molecular modeling and drug design
 such as molecular dynamics, ligand based drug design, receptor based drug
 design, protein structure prediction, molecular databases, application
 of quantum mechanical methods to molecular modeling, and information
 retrieval from World Wide Web using Mosaic. In the hands-on sessions,
 workshop participants will learn how to apply the techniques using
 the state-of-the-art modeling programs from three leading software
 companies (Biosym Technologies, Inc., Molecular Simulations Inc. and
 Tripos Associates, Inc.). After completion of the workshop, participants
 will be able to enhance their research and shorten their drug design cycle
 considerably by applying the techniques learned in the workshop.
 Attendance will be limited to fifteen to allow adequate training to
 all attendees. For more information please contact Dr. Hong Ma via e-mail
 to hongma ( ( at ) ) ncsc.org or by calling 919-248-1176.
 Registration fees are $120.00 for North Carolina academic institutions,
 $180.00 for out-of-state academic institutions.  Industrial fees are
 $750.00.
 Agenda
 January 31, 1995		- Tuesday
 -----------------
  8:30 -  8:45 AM   Remarks and Course Overview
  8:45 - 10:00 AM   Molecular Modeling in Drug Design
 10:00 - 10:15 AM   Break
 10:15 - 12:00 AM   Lab I: Graphic Interface
 12:00 -  1:00 PM   Lunch
  1:00 -  2:30 PM   Ligand Based Drug Design
  2:30 -  5:00 PM   Lab II: Pharmacophore Model Generation
  5:00 -  7:00 PM   Dinner
  7:00 -  8:00 PM   Molecular Databases
  8:00 - 10:00 PM   Lab III: Molecular Database
 February 1, 1995		- Wednesday
 -----------------
  8:30 - 10:00 AM   Molecular Mechanics and Dynamics
 10:00 - 10:15 AM   Break
 10:15 - 12:00 AM   Lab IV: Minimization and Dynamics
 12:00 -  1:00 PM   Lunch
  1:00 -  2:00 PM   Ab Initio and Semi-empirical Methods
  2:00 -  2:05 PM   Break
  2:05 -  3:05 PM   Density Functional Method
  3:05 -  5:00 PM   Lab V: Application of Quantum Mechanics Methods
  5:00 -  7:00 PM   Dinner
  7:00 - 10:00 PM   Optional Lab Time
 February 2, 1995		- Thursday
 -----------------
  8:30 - 10:00 AM   Protein Structure Prediction
 10:00 - 12:00 AM   Lab VI: Protein Structure Prediction
 12:00 -  1:00 PM   Lunch
  1:00 -  2:00 PM   Receptor Based Drug Design
  2:00 -  4:00 PM   Lab VII: Receptor Based Drug Design
  4:00 -  5:15 PM   Drug Design -- A Practical Example
 LECTURERS:
 Mike Agostino      Glaxo Inc. (RTP, NC)
 Webb Andrews       Burroughs Wellcome (RTP, NC)
 Frank Brown        Glaxo Inc. (RTP, NC)
 Lee Bartolotti     North Carolina Supercomputing Center (RTP, NC)
 Alexander Tropsha  School of Pharmacy, Univeristy of North Carolina (Chapel
 Hill, NC)
 Mike Mitchell      Becton Dickinson Research Center (RTP, NC)
 Mark Murcko        Vertex (Cambridge, MA)
 Lee Pedersen       Department of Chemistry, University of North Carolina (Chapel
 Hill, NC)
 INSTRUCTORS:
 Lee Bartolotti     North Carolina Supercomputing Center (RTP, NC)
 Hong Ma            North Carolina Supercomputing Center (RTP, NC)
 K. Raghavan        Biosym Technologies, Inc.
 Scott Kahn         Molecular Simulations Inc.
 Chris Van Dyke     Tripos Associates, Inc.